1,3,5-트리티안

1,3,5-트리티안 · 1,3,5-트라이티에인 · S-TRITHIANE · Thioform · sym-Trithian · (SYM) TRITHIANE · 1,3,5-TRITHIANE · s-Trithiane,97%

식별자 및 물리적 특성

CAS No.	291-21-4
분자식	C3H6S3
평균 분자량	138.3 g/mol
단동위원소 질량	137.96316371 g/mol
SMILES	C1SCSCS1
InChIKey	LORRLQMLLQLPSJ-UHFFFAOYSA-N
PubChem CID	9264
ChEBI	CHEBI:39196
EC No.	206-029-7
DTXSID	DTXSID2059778
현지명	1,3,5-트리티안

XLogP	2.2
극성 표면적	75.9
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	0
무거운 원자 수	6
형식 전하	0
복잡도	21
녹는점	220 °C215-220 °C (dec.)(lit.)
Physical Description	White solid with a strong offensive odor[Alfa Aesar MSDS]
Kovats Retention Index	12591271
끓는 점	376.28°C (estimate)
밀도	1.637
굴절률	1.7000 (estimate)
저장 조건	-20°C Freezer, Under inert atmosphere
용해도	클로로포름(아주 살짝 녹인다, 가열), DMSO(아주 살짝 녹인다, 가열)
물리적 상태	고체
색상	흰색에서 황백색까지
비열	Cp(gas): 0.8 J/(g·K), at 25℃
BRN	79834
InChI	1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2
InChIKey	LORRLQMLLQLPSJ-UHFFFAOYSA-N
SMILES	C1SCSCS1
LogP(분배 계수)	1.939 (est)
EPA	1,3,5-Trithiane (291-21-4)

white to almost white crystalline powder

GHS 분류	WarningH319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory.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.
규제 정보	1,3,5-Trithiane: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	A mild skin and eye irritantIntraperitoneal LD50 (mouse) = 250 mg/kg[RTECS] A mild skin irritant[Alfa Aesar MSDS]
Hazard Classes and Categories	Eye Irrit. 2 (95.1%)
수질 위해 등급(WGK)	3
RTECS 번호	YL8225000
관세 코드	2930.90.9250
안전 문구(S)	22-24/25
저장 분류	11 - Combustible Solids

1,3,5-Trithiane is an precursor to organosulfur reagents.