1,1-Propanedithiol

HCID 6428546CAS 88497-17-0

기본 정보

표준 SMILES: CCC(S)S
InChIKey: NCNISYUOWMIOPI-UHFFFAOYSA-N
분자식: C3H8S2
평균 분자량: 108.23 g/mol
단동위원소 질량: 108.0067426

이름 및 식별자

우선 이름: 1,1-Propanedithiol
IUPAC: propane-1,1-dithiol

이름 및 동의어

1,1-propanedithiol1,1-dimercaptopropaneWXB7P88MHJFema No. 4670UNII-WXB7P88MHJ88497-17-0DTXSID7010158231,1-Propane dithiolRefChem:71140DTXCID30374680801-683-5NCNISYUOWMIOPI-UHFFFAOYSA-N

이름 더 보기

Propanedithiolpropane-1,1-dithiol1,a1-aPropanedithiol161994-06-5SCHEMBL302698SCHEMBL3866609SCHEMBL4223006SCHEMBL5484702

데이터베이스 식별자

CAS: 88497-17-0
PubChem CID: 6428546
DTXSID: DTXSID701015823
UNII: WXB7P88MHJ
EC Number: 801-683-5
Nikkaji: J1.405.824I

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 18

실험 및 물리화학적 성질

Density1.014-1.016

Solubility · 2건

Very slightly soluble in water

Soluble (in ethanol)

Boiling Point137-138 °C

Refractive Index1.490-1.501

Physical DescriptionClear colourless to light yellow liquid; Savoury sulfurous cooked onion aroma

Kovats Retention Index839

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.