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2-Mercaptoethyl sulfide

2-Mercaptoethyl sulfide structure

CAS No:
3570-55-6
Formula:
C4H10S3
Chemical Name:
2-Mercaptoethyl sulfide
Synonyms:
Ethanethiol,2,2′-thiobis-;Ethanethiol,2,2′-thiodi-;2,2′-Thiobis[ethanethiol];TDT;2-Mercaptoethyl sulfide;Bis(2-mercaptoethyl) sulfide;2,2′-Dimercaptodiethyl thioether;2,2′-Dimercaptodiethyl sulfide;2,2′-Thiodi(ethanethiol);1-Mercapto-2-(mercaptoethylthio)ethane;3-Thia-1,5-pentanedithiol;1,5-Dimercapto-3-thiapentane;1,4,7-Trithiaheptane;2-Mercaptoethyl thioether;Bis(2-sulfanylethyl) sulfide;NSC 4766;DMDS;2-[(2-Mercaptoethyl)thio]ethanethiol;IU 11B;2T-S;2-(2-Sulfanylethylsulfanyl)ethanethiol;2-[(2-Sulfanylethyl)sulfanyl]ethane-1-thiol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Mercaptoethyl sulfide Basic Attributes

Molecular Weight：

154.32

Exact Mass：

154.32

EC Number：

222-671-0

UNII：

OEU4AZC07S

NSC Number：

4766

DSSTox ID：

DTXSID4044660

HScode：

2930909090

Characteristics

PSA：

27.3

XLogP3：

1.57920

Appearance：

Clear colorless Liquid

Density：

1.2187 g/cm³ @ Temp: 25 °C

Melting Point：

-12.5 °C

Boiling Point：

135-136 °C @ Press: 10 Torr

Flash Point：

195 °F

Refractive Index：

n20/D 1.5961(lit.)

Water Solubility：

Difficult to mix.

Safety Information

Transport codes：

UN 2810 6.1/PG 3

wgk germany：

hazard class code：

36/37/38

safety instructions：

23-24/25

Precautionary statement(s)：

P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (30.3%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P273, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 100 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Mercaptoethyl sulfide Use and Manufacturing

Manufacturing Info：

Ethanethiol, 2,2'-thiobis-: ACTIVE

Computed Properties

Molecular Weight:154.3
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:153.99446384
Monoisotopic Mass:153.99446384
Topological Polar Surface Area:27.3
Heavy Atom Count:7
Complexity:26.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes