CAS 534-13-4 N,N'-Dimethylthiourea (HCID 2723631)

名称と識別子

優先名称: N,N'-Dimethylthiourea
IUPAC: 1,3-dimethylthiourea
現地名: 1,3-ジメチルチオ尿素
英語名: N,N'-DIMETHYLTHIOUREA
分子式: C3H8N2S
分子量: 104.17

名称と別名

N,N'-DIMETHYLTHIOUREA1,3-DimethylthioureaThiourea, N,N'-dimethyl-sym-Dimethylthiourea1,3-Dimethyl-2-thioureaDimethylthiocarbamide1,3-DimethylisothioureaDimethyl-2-thioureaUrea, 1,3-dimethyl-2-thio-DTXSID2042191EINECS 208-588-2NSC 8727

名称をさらに表示

1,3-ジメチルチオ尿素N,N'-ジメチルチオ尿素sym-ジメチルチオ尿素ジメチルチオ尿素N,N′-ジメチルチオ尿素1，3-ジメチルチオウレア1,3‐ジメチルチオ尿素N,N′‐ジメチルチオ尿素1,3-ジメチル-2-チオ尿素dimethylsulfourean,n’-dimethyl-thioure1,3-Dimethylthioureap

UNII-8P30PMD17WBRN 060545461805-96-7DTXCID0022191AI3-16377NSC-87274-04-00-00217 (Beilstein Handbook Reference)(CH3NH)2CS

データベース識別子

CAS: 534-13-4
PubChem CID: 2723631
DTXSID: DTXSID2042191
ChEMBL: CHEMBL3189044
UNII: 8P30PMD17W
EC Number: 208-588-2
Nikkaji: J9.407B

物性

構造計算による物性

XLogP: -0.2
極性表面積: 56.2 Å²
水素結合供与体数: 2
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 46

実験および物理化学的性質

Kovats Retention Index945

物理化学的性質

融点: 61 · 61-63 °C
沸点: 155 °C · 155 °C (0.7501 mmHg)
比重(密度): 1.055 · 1.055 (estimate)
屈折率: 1.55 · 1.5500 (estimate)
闪点: 200 °C · 200 °C
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 1000 g/l · 1000g/l (実験的)
外見: 結晶、結晶性粉末および/またはチャンク
酸解離定数(Pka): 14.98 · 14.98±0.70(Predicted)
色: 無色～白色
PH: 6.5 · 6.5 (100g/l, H2O, 20℃)
水溶解度: 1000 g/L · 1000g/L (experimental)
Merck: 14 · 14,3261
BRN: 605454 · 605454
InChI: 1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChIKey: VLCDUOXHFNUCKK-UHFFFAOYSA-N
SMILES: CNC(=S)NC
CAS データベース: 534 · 534-13-4(CAS DataBase Reference)
NISTの化学物質情報: Thiourea, N,N'-dimethyl-(534-13-4)
EPAの化学物質情報: N,N'-Dimethylthiourea (534-13-4)

化学的性質

化学的特性colorless to white crystals, crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 1.1% (1 of 88) of reports.

Danger

H301 (43.2%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (21.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (19.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H317 (78.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P316, P301+P317, P302+P352, P317, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 88 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 88 reports by companies.；There are 5 notifications provided by 87 of 88 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

Chemical: Thiourea, N,N'-dimethyl-

Thiourea, N,N'-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (43.2%)；Acute Tox. 4 (21.6%)；Acute Tox. 4 (19.3%)；Skin Sens. 1 (78.4%)

法規制情報

Regulatory Information · 2 件

Chemical: Thiourea, N,N'-dimethyl-

Thiourea, N,N'-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 3-10
wgk: 3
tsca: TSCA listed
rtecs: YT1520000
ridadr: UN 2811 6.1/PG 3
hs_code: 29309090
risk_code: 25-43
化審法: (2)-3266
hazard_code: T
safety_code: 36/37-45
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Skin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological ClassificationSubstances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY.